SCHEMBL14873776

SCHEMBL14873776

Cc1c(-n2cnnn2)ccc(Cl)c1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 6/20 0.54
▸ ATM Q13315 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17666297 0.83 GAA (0.43) NOTUMKMT2AALDH1A1LMNAMAPT
SCHEMBL24427485 0.83 NOTUM (0.45) NOTUMF2KMT2AALDH1A1LMNA
SCHEMBL23486492 0.81 NOTUM (0.54) NOTUMF2KMT2AALDH1A1MAPT
SCHEMBL24427290 0.81 NOTUM (0.54) NOTUMATMF2KMT2AALDH1A1
SCHEMBL14873801 0.80 NOTUM (0.50) NOTUMF2KMT2AALDH1A1LMNA
SCHEMBL16132838 0.80 NOTUM (0.50) NOTUMF2KMT2AALDH1A1KDM4E
SCHEMBL23088294 0.78 NOTUM (0.51) NOTUMF2KMT2AALDH1A1LMNA
SCHEMBL18315126 0.78 KMT2A (0.60) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL23088219 0.78 NOTUM (0.51) NOTUMF2KMT2AALDH1A1LMNA
SCHEMBL29792599 0.78 NOTUM (0.51) NOTUMF2KMT2AALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3868753-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP BRISTOL MYERS SQUIBB CO (US) 2022-12-21 — — EP disclosed
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 — — US disclosed
US-20220204508-A1 MACROCYCLIC DERIVATIVES ACTING AS XIA FACTOR INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2022-06-30 — — US disclosed
WO-2022122035-A1 COAGULATION FACTOR XIA INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2022-06-16 — — WO disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 — — EP disclosed
EP-3988549-A1 MACROCYCLES WITH HETEROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2022-04-27 — — EP disclosed
WO-2021136390-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR 上海京新生物医药有限公司 2021-07-08 — — WO disclosed
EP-3328852-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP BRISTOL MYERS SQUIBB CO (US) 2021-04-28 — — EP disclosed
WO-2020211781-A1 MACROCYCLIC DERIVATIVES ACTING AS XIA FACTOR INHIBITOR 南京明德新药研发有限公司 2020-10-22 — — WO disclosed
EP-3328851-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES BRISTOL MYERS SQUIBB CO (US) 2020-04-22 — — EP disclosed
US-20160318904-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-11-03 — — US disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US disclosed
US-9447110-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-20 — — US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 — — US disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO disclosed
WO-2015116885-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO disclosed
US-9000172-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 — — US disclosed
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 — — US disclosed
WO-2014022767-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 — — WO disclosed
WO-2013056060-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 NOTUM 781/4885ATM 2274/4885F2 11/4885
US-20160318904-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 NOTUM 781/4885ATM 2274/4885F2 11/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 NOTUM 38/4885ATM 4411/4885F2 8/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NOTUM 3214/4885ATM 1709/4885F2 3/4885
US-20220204508-A1 MACROCYCLIC DERIVATIVES ACTING AS XIA FACTOR INHIBITOR F11, TFPI, SERPINC1 NOTUM 75/4885ATM 4504/4885F2 13/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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